4umb - Revision history

OCA at 10:30, 10 January 2024

OCA — Wed, 10 Jan 2024 10:30:29 GMT

←Older revision		Revision as of 10:30, 10 January 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4umb]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Neisseria_meningitidis_MC58 Neisseria meningitidis MC58]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UMB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4UMB FirstGlance]. <br>		<table><tr><td colspan='2'>[[4umb]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Neisseria_meningitidis_MC58 Neisseria meningitidis MC58]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UMB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4UMB FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0V5:(2R)-2-(PHOSPHONOOXY)PROPANOIC+ACID'>0V5</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.17Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0V5:(2R)-2-(PHOSPHONOOXY)PROPANOIC+ACID'>0V5</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4umb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4umb OCA], [https://pdbe.org/4umb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4umb RCSB], [https://www.ebi.ac.uk/pdbsum/4umb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4umb ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4umb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4umb OCA], [https://pdbe.org/4umb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4umb RCSB], [https://www.ebi.ac.uk/pdbsum/4umb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4umb ProSAT]</span></td></tr>
	</table>		</table>

OCA at 08:29, 22 March 2023

OCA — Wed, 22 Mar 2023 08:29:04 GMT

←Older revision		Revision as of 08:29, 22 March 2023
Line 3:		Line 3:
	<StructureSection load='4umb' size='340' side='right'caption='[[4umb]], [[Resolution\|resolution]] 2.17Å' scene=''>		<StructureSection load='4umb' size='340' side='right'caption='[[4umb]], [[Resolution\|resolution]] 2.17Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4umb]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Neimb Neimb~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UMB OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4UMB FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4umb]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Neisseria_meningitidis_MC58 Neisseria meningitidis MC58]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UMB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4UMB FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0V5:(2R)-2-(PHOSPHONOOXY)PROPANOIC+ACID'>0V5</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0V5:(2R)-2-(PHOSPHONOOXY)PROPANOIC+ACID'>0V5</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4uma\|4uma]], [[4umc\|4umc]]</td></tr>~~	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4umb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4umb OCA], [https://pdbe.org/4umb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4umb RCSB], [https://www.ebi.ac.uk/pdbsum/4umb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4umb ProSAT]</span></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-deoxy-7-phosphoheptulonate_synthase 3-deoxy-7-phosphoheptulonate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.54 2.5.1.54] </span></td></tr>	+
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4umb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4umb OCA], [~~http~~://pdbe.org/4umb PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4umb RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4umb PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4umb ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/Q9K169_NEIMB Q9K169_NEIMB]] Stereospecific condensation of phosphoenolpyruvate (PEP) and D-erythrose-4-phosphate (E4P) giving rise to 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) (By similarity).[PIRNR:PIRNR001361]	+	[https://www.uniprot.org/uniprot/Q9K169_NEIMB Q9K169_NEIMB] Stereospecific condensation of phosphoenolpyruvate (PEP) and D-erythrose-4-phosphate (E4P) giving rise to 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) (By similarity).[PIRNR:PIRNR001361]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 20:

	==See Also==		==See Also==
-	*[[DAHP synthase\|DAHP synthase]]	+	*[[DAHP synthase 3D structures\|DAHP synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: 3-deoxy-7-phosphoheptulonate synthase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Neimb~~]]	+	[[Category: Neisseria meningitidis MC58]]
-	[[Category: Cross~~, P J~~]]	+	[[Category: Cross PJ]]
-	[[Category: Heyes~~, L C~~]]	+	[[Category: Heyes LC]]
-	[[Category: Parker~~, E J~~]]	+	[[Category: Parker EJ]]
-	[[Category: Reichau, S]]	+	[[Category: Reichau S]]
-	~~[[Category: Aromatic amino acid]]~~	+
-	~~[[Category: Dah7p]]~~	+
-	~~[[Category: Dahp]]~~	+
-	~~[[Category: Meningitis]]~~	+
-	~~[[Category: Oxocarbenium ion]]~~	+
-	~~[[Category: Shikimate pathway]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 08:53, 21 May 2019

OCA — Tue, 21 May 2019 08:53:21 GMT

←Older revision		Revision as of 08:53, 21 May 2019
Line 1:		Line 1:

	==Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water==		==Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water==
-	<StructureSection load='4umb' size='340' side='right' caption='[[4umb]], [[Resolution\|resolution]] 2.17Å' scene=''>	+	<StructureSection load='4umb' size='340' side='right'caption='[[4umb]], [[Resolution\|resolution]] 2.17Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4umb]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UMB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UMB FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4umb]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Neimb Neimb]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UMB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UMB FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0V5:(2R)-2-(PHOSPHONOOXY)PROPANOIC+ACID'>0V5</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0V5:(2R)-2-(PHOSPHONOOXY)PROPANOIC+ACID'>0V5</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4uma\|4uma]], [[4umc\|4umc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4uma\|4uma]], [[4umc\|4umc]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-deoxy-7-phosphoheptulonate_synthase 3-deoxy-7-phosphoheptulonate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.54 2.5.1.54] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-deoxy-7-phosphoheptulonate_synthase 3-deoxy-7-phosphoheptulonate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.54 2.5.1.54] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4umb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4umb OCA], [http://pdbe.org/4umb PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4umb RCSB], [http://www.ebi.ac.uk/pdbsum/4umb PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4umb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4umb OCA], [http://pdbe.org/4umb PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4umb RCSB], [http://www.ebi.ac.uk/pdbsum/4umb PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4umb ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 28:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: 3-deoxy-7-phosphoheptulonate synthase]]		[[Category: 3-deoxy-7-phosphoheptulonate synthase]]
		+	[[Category: Large Structures]]
		+	[[Category: Neimb]]
	[[Category: Cross, P J]]		[[Category: Cross, P J]]
	[[Category: Heyes, L C]]		[[Category: Heyes, L C]]

OCA at 16:34, 10 May 2016

OCA — Tue, 10 May 2016 16:34:03 GMT

←Older revision		Revision as of 16:34, 10 May 2016
Line 1:		Line 1:
		+
	==Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water==		==Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water==
	<StructureSection load='4umb' size='340' side='right' caption='[[4umb]], [[Resolution\|resolution]] 2.17Å' scene=''>		<StructureSection load='4umb' size='340' side='right' caption='[[4umb]], [[Resolution\|resolution]] 2.17Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4uma\|4uma]], [[4umc\|4umc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4uma\|4uma]], [[4umc\|4umc]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-deoxy-7-phosphoheptulonate_synthase 3-deoxy-7-phosphoheptulonate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.54 2.5.1.54] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-deoxy-7-phosphoheptulonate_synthase 3-deoxy-7-phosphoheptulonate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.54 2.5.1.54] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4umb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4umb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4umb RCSB], [http://www.ebi.ac.uk/pdbsum/4umb PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4umb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4umb OCA], [http://pdbe.org/4umb PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4umb RCSB], [http://www.ebi.ac.uk/pdbsum/4umb PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 4umb" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[DAHP synthase\|DAHP synthase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 08:42, 24 December 2014

OCA — Wed, 24 Dec 2014 08:42:55 GMT

←Older revision		Revision as of 08:42, 24 December 2014
Line 8:		Line 8:
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4umb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4umb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4umb RCSB], [http://www.ebi.ac.uk/pdbsum/4umb PDBsum]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4umb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4umb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4umb RCSB], [http://www.ebi.ac.uk/pdbsum/4umb PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/Q9K169_NEIMB Q9K169_NEIMB]] Stereospecific condensation of phosphoenolpyruvate (PEP) and D-erythrose-4-phosphate (E4P) giving rise to 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) (By similarity).[PIRNR:PIRNR001361]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 10:04, 17 December 2014

OCA — Wed, 17 Dec 2014 10:04:18 GMT

←Older revision		Revision as of 10:04, 17 December 2014
Line 21:		Line 21:
	</StructureSection>		</StructureSection>
	[[Category: 3-deoxy-7-phosphoheptulonate synthase]]		[[Category: 3-deoxy-7-phosphoheptulonate synthase]]
-	[[Category: Cross, P J.]]	+	[[Category: Cross, P J]]
-	[[Category: Heyes, L C.]]	+	[[Category: Heyes, L C]]
-	[[Category: Parker, E J.]]	+	[[Category: Parker, E J]]
-	[[Category: Reichau, S.]]	+	[[Category: Reichau, S]]
	[[Category: Aromatic amino acid]]		[[Category: Aromatic amino acid]]
	[[Category: Dah7p]]		[[Category: Dah7p]]

OCA at 07:38, 8 October 2014

OCA — Wed, 08 Oct 2014 07:38:34 GMT

←Older revision		Revision as of 07:38, 8 October 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water==
		+	<StructureSection load='4umb' size='340' side='right' caption='[[4umb]], [[Resolution\|resolution]] 2.17Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4umb]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UMB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UMB FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0V5:(2R)-2-(PHOSPHONOOXY)PROPANOIC+ACID'>0V5</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4uma\|4uma]], [[4umc\|4umc]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-deoxy-7-phosphoheptulonate_synthase 3-deoxy-7-phosphoheptulonate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.54 2.5.1.54] </span></td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4umb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4umb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4umb RCSB], [http://www.ebi.ac.uk/pdbsum/4umb PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	3-Deoxy-d-arabino-heptulosonate 7-phosphate synthase (DAH7PS) catalyses the first committed step of the shikimate pathway, which produces the aromatic amino acids as well as many other aromatic metabolites. DAH7PS catalyses an aldol-like reaction between phosphoenolpyruvate and erythrose 4-phosphate. Three phosphoenolpyruvate mimics, (R)-phospholactate, (S)-phospholactate and vinyl phosphonate [(E)-2-methyl-3-phosphonoacrylate], were found to competitively inhibit DAH7PS from Neisseria meningitidis, which is the pathogen responsible for bacterial meningitis. The most potent inhibitor was the vinyl phosphonate with a Ki value of 3.9+/-0.4muM. We report for the first time crystal structures of these compounds bound in the active site of a DAH7PS enzyme which reveals that the inhibitors bind to the active site of the enzyme in binding modes that mimic those of the predicted oxocarbenium and tetrahedral intermediates of the enzyme-catalysed reaction. Furthermore, the inhibitors accommodate the binding of a key active site water molecule. Together, these observations provide strong evidence that this active site water participates directly in the DAH7PS reaction, enabling the facial selectivity of the enzyme-catalysed reaction sequence to be delineated.

-	The ~~entry 4umb is ON HOLD until Paper Publication~~	+	Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase - The importance of accommodating the active site water.,Heyes LC, Reichau S, Cross PJ, Jameson GB, Parker EJ Bioorg Chem. 2014 Aug 27. pii: S0045-2068(14)00068-6. doi:, 10.1016/j.bioorg.2014.08.003. PMID:25245459<ref>PMID:25245459</ref>

-	~~Authors: Heyes~~, L.~~C., Reichau,~~ S., Cross, P.J., Parker, E.J.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase -the importance of accommodating the active site water~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: 3-deoxy-7-phosphoheptulonate synthase]]
		+	[[Category: Cross, P J.]]
		+	[[Category: Heyes, L C.]]
		+	[[Category: Parker, E J.]]
		+	[[Category: Reichau, S.]]
		+	[[Category: Aromatic amino acid]]
		+	[[Category: Dah7p]]
		+	[[Category: Dahp]]
		+	[[Category: Meningitis]]
		+	[[Category: Oxocarbenium ion]]
		+	[[Category: Shikimate pathway]]
		+	[[Category: Transferase]]

OCA at 08:36, 28 May 2014

OCA — Wed, 28 May 2014 08:36:20 GMT

←Older revision		Revision as of 08:36, 28 May 2014
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4umb is ON HOLD	+	The entry 4umb is ON HOLD until Paper Publication

	Authors: Heyes, L.C., Reichau, S., Cross, P.J., Parker, E.J.		Authors: Heyes, L.C., Reichau, S., Cross, P.J., Parker, E.J.

	Description: Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase -the importance of accommodating the active site water		Description: Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase -the importance of accommodating the active site water

OCA: Protected "4umb" [edit=sysop:move=sysop]

OCA — Wed, 21 May 2014 08:21:15 GMT

Protected "4umb" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:21, 21 May 2014

OCA: New page: '''Unreleased structure''' The entry 4umb is ON HOLD Authors: Heyes, L.C., Reichau, S., Cross, P.J., Parker, E.J. Description: Structural analysis of substrate-mimicking inhibitors in ...

OCA — Wed, 21 May 2014 08:21:14 GMT

New page: '''Unreleased structure''' The entry 4umb is ON HOLD Authors: Heyes, L.C., Reichau, S., Cross, P.J., Parker, E.J. Description: Structural analysis of substrate-mimicking inhibitors in ...

New page

'''Unreleased structure'''

The entry 4umb is ON HOLD

Authors: Heyes, L.C., Reichau, S., Cross, P.J., Parker, E.J.

Description: Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase -the importance of accommodating the active site water